N-(5-methylhexan-2-yl)-2-(propylamino)pyridine-3-sulfonamide

C15H27N3O2S — CID 63925751

IUPACN-(5-methylhexan-2-yl)-2-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ncccc1S(=O)(=O)NC(C)CCC(C)C
InChIInChI=1S/C15H27N3O2S/c1-5-10-16-15-14(7-6-11-17-15)21(19,20)18-13(4)9-8-12(2)3/h6-7,11-13,18H,5,8-10H2,1-4H3,(H,16,17)
InChIKeyFZIOZEMERHFUMP-UHFFFAOYSA-N
MW313.47 g/mol
LogP3.01
Rot. Bonds9

About N-(5-methylhexan-2-yl)-2-(propylamino)pyridine-3-sulfonamide

N-(5-methylhexan-2-yl)-2-(propylamino)pyridine-3-sulfonamide (PubChem CID 63925751) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is N-(5-methylhexan-2-yl)-2-(propylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(5-methylhexan-2-yl)-2-(propylamino)pyridine-3-sulfonamide
PubChem CID63925751
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC NameN-(5-methylhexan-2-yl)-2-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ncccc1S(=O)(=O)NC(C)CCC(C)C
InChIInChI=1S/C15H27N3O2S/c1-5-10-16-15-14(7-6-11-17-15)21(19,20)18-13(4)9-8-12(2)3/h6-7,11-13,18H,5,8-10H2,1-4H3,(H,16,17)
InChIKeyFZIOZEMERHFUMP-UHFFFAOYSA-N
XLogP3.01
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-pentan-2-yl-2-(propylamino)pyridine-3-sulfonamide
CID 55044262
N-(4-methylpentyl)-2-(propylamino)pyridine-3-sulfonamide
CID 63003516
2-(ethylamino)-N-octan-2-ylpyridine-3-sulfonamide
CID 63473663
N-[1-(furan-2-yl)ethyl]-2-(propylamino)pyridine-3-sulfonamide
CID 62145541
N-ethyl-2-[[2-(propylamino)-3-pyridinyl]sulfonylamino]propanamide
CID 62152812
N-(2,2-difluoroethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 113304047
N-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)pyridine-3-sulfonamide
CID 62152933
N-(3-chloro-2-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide
CID 103094788
2-(methylamino)-N-(4-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide
CID 113478168
N-(cyclopentylmethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 62145695
N-(4-methylpentan-2-yl)-3-(propylamino)pyridine-2-sulfonamide
CID 103304534
2-[[2-(methylamino)-3-pyridinyl]sulfonylamino]-N-propylpropanamide
CID 62151211

Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexan-2-yl)-2-(propylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(5-methylhexan-2-yl)-2-(propylamino)pyridine-3-sulfonamide (CID 63925751) is N-(5-methylhexan-2-yl)-2-(propylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(5-methylhexan-2-yl)-2-(propylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(5-methylhexan-2-yl)-2-(propylamino)pyridine-3-sulfonamide is CCCNc1ncccc1S(=O)(=O)NC(C)CCC(C)C.
What is the InChIKey of N-(5-methylhexan-2-yl)-2-(propylamino)pyridine-3-sulfonamide?
The InChIKey is FZIOZEMERHFUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-5-10-16-15-14(7-6-11-17-15)21(19,20)18-13(4)9-8-12(2)3/h6-7,11-13,18H,5,8-10H2,1-4H3,(H,16,17).
What are the key properties of N-(5-methylhexan-2-yl)-2-(propylamino)pyridine-3-sulfonamide?
N-(5-methylhexan-2-yl)-2-(propylamino)pyridine-3-sulfonamide has a molecular weight of 313.47 g/mol, XLogP of 3.01, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexan-2-yl)-2-(propylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 63925751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).